4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C12H20F3N3O2 — CID 59108565

IUPAC4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(=O)C(C)(C)N1CCNC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-8(19)11(2,3)18-5-4-16-9(6-18)10(20)17-7-12(13,14)15/h9,16H,4-7H2,1-3H3,(H,17,20)
InChIKeyASGIGOJTSMXKAC-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.31
Rot. Bonds4

About 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108565) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108565
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC(=O)C(C)(C)N1CCNC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-8(19)11(2,3)18-5-4-16-9(6-18)10(20)17-7-12(13,14)15/h9,16H,4-7H2,1-3H3,(H,17,20)
InChIKeyASGIGOJTSMXKAC-UHFFFAOYSA-N
XLogP0.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,2,2-trifluoroethyl)aziridine-2-carboxamide
CID 97184752
4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20602972
(2S)-4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10238104
(2R)-N,4-diethylpiperazine-2-carboxamide
CID 129406031
N,4-diethylpiperazine-2-carboxamide
CID 53431411
(2R)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperidine-2-carboxamide
CID 104913679
N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
(2R)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]piperidine-2-carboxamide
CID 119884432
(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108736
(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108578
6-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 24704463
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108565) is 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC(=O)C(C)(C)N1CCNC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is ASGIGOJTSMXKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8(19)11(2,3)18-5-4-16-9(6-18)10(20)17-7-12(13,14)15/h9,16H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-oxobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).